The Journal of Chemical Physics

Paper

01 Jan 1982

Relativistic effects on R_e and D_e in AgH and AuH from all-electron Dirac-Hartree-Fock calculations

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Abstract

No abstract available.

Paper

Theoretical investigation of the anaerobic reduction of halogenated alkanes by cytochrome P-450. 2. Vertical electron affinities of chlorofluoromethanes as a measure of their activity

Brian T. Luke, Gilda H. Loew, et al.

JACS

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Nonrelativistic all electron SCF, MCSCF, and Cl calculations on the AgH, AuH, and Ag₂ molecules

A.D. McLean

The Journal of Chemical Physics

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Use of nonrelativistic wavefunctions for the prediction of properties of molecules containing atoms of high Z. PbO as a test case

Gretchen M. Schwenzer, Dean H. Liskow, et al.

The Journal of Chemical Physics

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Rotational and vibrational spectra of ethynol from quantum-mechanical calculations

D.J. DeFrees, A.D. McLean

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